cyclohexyl(phenyl)[3-(piperidin-1-yl)propyl]silanol

• ChemBase ID: 179875
• Molecular Formular: C20H33NOSi
• Molecular Mass: 331.56762
• Monoisotopic Mass: 331.23314121
• SMILES: [Si](c1ccccc1)(C1CCCCC1)(O)CCCN1CCCCC1
• Canonical SMILES: O[Si](c1ccccc1)(C1CCCCC1)CCCN1CCCCC1
• InChI: InChI=1S/C20H33NOSi/c22-23(19-11-4-1-5-12-19,20-13-6-2-7-14-20)18-10-17-21-15-8-3-9-16-21/h1,4-5,11-12,20,22H,2-3,6-10,13-18H2
• InChIKey: QTBCATBNRIYMPB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: cyclohexyl(phenyl)[3-(piperidin-1-yl)propyl]silanol
• IUPAC Traditional name: cyclohexyl(phenyl)[3-(piperidin-1-yl)propyl]silanol
• Synonyms: Hexahydrosiladifenidol

Database IDs

• CAS Number: 98299-40-2
• PubChem SID: 164235785
• PubChem CID: 3602

CALCULATED PROPERTIES

• Acid pKa: 11.7628355
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.17821765
• LogD (pH = 7.4): 1.9406662
• Log P: 3.3958
• Molar Refractivity: 95.5564 cm^3
• Polarizability: 39.757687 Å^3
• Polar Surface Area: 23.47 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Pharmacology Properties

• Mechanism of Action: Parasympatholytic; Spasmolytic

Product Information

• Application(s): Spasmolytic

REFERENCES

• Br.J.Pharmacol. (109, No. 2, 360-70, 1993) Thermodynamics of Antagonist Binding to Rat Muscarinic M2 Receptors: Antimuscarinics of the Pridinol, Sila-Pridinol, Diphenidol and Sila-Diphenidol Type.